1-(2,2-dimethylpropyl)-3-(2-phenoxyethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile

Systemtic Name: 1-(2,2-dimethylpropyl)-3-(2-phenoxyethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Openeye Name: 1-(2,2-dimethylpropyl)-3-(2-phenoxyethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile CAS Name: 1-(2,2-dimethylpropyl)-3-(2-phenoxyethoxy)-6-pyrazolo[3,4-d]pyrimidinecarbonitrile IUPAC Name: 1-(2,2-dimethylpropyl)-3-(2-phenoxyethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Traditional Name: 1-neopentyl-3-(2-phenoxyethoxy)pyrazolo[3,4-d]pyrimidine-6-carbonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2C(=N1)OCCOC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2C(=N1)OCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N5O2/c1-19(2,3)13-24-17-15(12-21-16(11-20)22-17)18(23-24)26-10-9-25-14-7-5-4-6-8-14/h4-8,12H,9-10,13H2,1-3H3